8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one

C15H16N4O — CID 136633330

IUPAC8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESCC(C)(C)c1cccc2c(=O)[nH]c(-n3cccn3)nc12
InChIInChI=1S/C15H16N4O/c1-15(2,3)11-7-4-6-10-12(11)17-14(18-13(10)20)19-9-5-8-16-19/h4-9H,1-3H3,(H,17,18,20)
InChIKeyNCNAPPPIKFOXRI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds1

About 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one

8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one (PubChem CID 136633330) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
PubChem CID136633330
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESCC(C)(C)c1cccc2c(=O)[nH]c(-n3cccn3)nc12
InChIInChI=1S/C15H16N4O/c1-15(2,3)11-7-4-6-10-12(11)17-14(18-13(10)20)19-9-5-8-16-19/h4-9H,1-3H3,(H,17,18,20)
InChIKeyNCNAPPPIKFOXRI-UHFFFAOYSA-N
XLogP2.41
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 149338309
CID 149338309
5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277465
4-oxo-8-(trifluoromethyl)-3H-quinazoline-2-carbaldehyde
CID 136918023
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277498
[1-(4-oxo-8-phenoxy-3H-quinazolin-2-yl)pyrazol-4-yl] hydrogen carbonate
CID 136950318
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
CID 158524727
2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one
CID 50984941
8-fluoro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 136617678
8-amino-2-methyl-3H-quinazolin-4-one
CID 135981165
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one?
The IUPAC name of 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one (CID 136633330) is 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one is CC(C)(C)c1cccc2c(=O)[nH]c(-n3cccn3)nc12.
What is the InChIKey of 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one?
The InChIKey is NCNAPPPIKFOXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(2,3)11-7-4-6-10-12(11)17-14(18-13(10)20)19-9-5-8-16-19/h4-9H,1-3H3,(H,17,18,20).
What are the key properties of 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one?
8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one has a molecular weight of 268.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136633330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).